2-Chloro-3-iodo-5-(trifluoromethyl)pyridine - CAS 505084-56-0

Catalog:	BB027088
Product Name:	2-Chloro-3-iodo-5-(trifluoromethyl)pyridine
CAS:	505084-56-0
Synonyms:	2-chloro-3-iodo-5-(trifluoromethyl)pyridine

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Computed Properties

IUPAC Name:	2-chloro-3-iodo-5-(trifluoromethyl)pyridine
Description:	2-Chloro-3-iodo-5-(trifluoromethyl)pyridine (CAS# 505084-56-0) is used in the synthesis of biologically active molecules with a trufluoromethyl moiety.
Molecular Weight:	307.44
Molecular Formula:	C6H2ClF3IN
Canonical SMILES:	C1=C(C=NC(=C1I)Cl)C(F)(F)F
InChI:	InChI=1S/C6H2ClF3IN/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H
InChI Key:	ARJOLVRUWVHCRI-UHFFFAOYSA-N
MDL:	MFCD08741352
LogP:	3.35840

Publication Number	Title	Priority Date
JP-2010065026-A	Pyridyl-triazolopyrimidine derivatives or salts thereof, and pest control agents containing them	20080813
WO-2010018853-A1	Pyridyl-triazolopyrimidine derivative or salt thereof, and harmful organism control agent comprising the same	20080813
AU-2008210455-A1	2-aminopyridine derivatives useful as kinase inhibitors	20070131
CA-2677096-A1	Kinase inhibitors	20070131
EP-2121613-A2	2-aminopyridine derivatives useful as kinase inhibitors	20070131

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.88726
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.88726
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3